Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland.
Molecules. 2021 Nov 24;26(23):7100. doi: 10.3390/molecules26237100.
Electronic circular dichroism (ECD) can be used to study various aspects of self-assembly (definition of stoichiometric ratios, chirality amplification during self-assembly, host-guest complexation). In this work, we show that ECD is a valuable tool for monitoring the self-assembly of chiral peptide-based capsules. By analyzing the signs, intensities, and temperature dependences of ECD bands, the effects of the non-specific processes can be separated from the restriction of intramolecular motion (RIM) caused by discrete self-assembly. Analysis of experimental and theoretical ECD spectra show that the differences between assembled and non-assembled species originate from induction of inherently chiral conformation and restriction of conformational freedom that leads to amplification of ECD signals during self-assembly of discrete species.
电子圆二色性（ECD）可用于研究自组装的各个方面（确定化学计量比、自组装过程中的手性放大、主体-客体络合）。在这项工作中，我们表明 ECD 是监测基于手性肽的胶囊自组装的有价值的工具。通过分析 ECD 带的符号、强度和温度依赖性，可以将非特异性过程的影响与由离散自组装引起的分子内运动限制（RIM）分开。实验和理论 ECD 光谱的分析表明，组装和未组装物质之间的差异源于固有手性构象的诱导和构象自由度的限制，这导致在离散物质的自组装过程中 ECD 信号的放大。
